[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone

C19H24N2O3 — CID 94618354

IUPAC[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C)n2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13-7-9-16(20(13)2)19(22)21-11-5-6-15(21)14-8-10-17(23-3)18(12-14)24-4/h7-10,12,15H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyGNDTYSYAFWULNB-OAHLLOKOSA-N
MW328.41 g/mol
LogP3.33
Rot. Bonds4

About [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone

[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone (PubChem CID 94618354) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
PubChem CID94618354
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C)n2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-13-7-9-16(20(13)2)19(22)21-11-5-6-15(21)14-8-10-17(23-3)18(12-14)24-4/h7-10,12,15H,5-6,11H2,1-4H3/t15-/m1/s1
InChIKeyGNDTYSYAFWULNB-OAHLLOKOSA-N
XLogP3.33
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 56810913
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 46957653
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrol-2-yl]methanone
CID 42938830
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938983
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 18147717
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The IUPAC name of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone (CID 94618354) is [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone is COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)n2C)cc1OC.
What is the InChIKey of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The InChIKey is GNDTYSYAFWULNB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-7-9-16(20(13)2)19(22)21-11-5-6-15(21)14-8-10-17(23-3)18(12-14)24-4/h7-10,12,15H,5-6,11H2,1-4H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone is sourced from PubChem (CID 94618354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).